CID 20014

O-cresol, alpha,alpha'-(hexamethylenedinitrilo)di-

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1=CC=C(C(=C1)CN=CCCCCC=NCC2=CC=CC=C2O)O
InChI
InChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-14,23-24H,1-2,7-8,15-16H2
InChIKey
CRGRLOKWPRTHCA-UHFFFAOYSA-N
Compound name
2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.8
[M+Na]+ 347.172998 183.5
[M-H]- 323.176504 184.6
[M+NH4]+ 342.217603 192.2
[M+K]+ 363.146938 178.0
[M+H-H2O]+ 307.181040 169.6
[M+HCOO]- 369.181981 204.0
[M+CH3COO]- 383.197631 213.4
[M+Na-2H]- 345.158446 183.0
[M]+ 324.18323142 180.6
[M]- 324.18432858 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.